SCHEMBL14290491

SCHEMBL14290491

Cc1nc(-c2ccc(O)cc2)cc(-c2cccc(Cl)c2)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 8/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ PIM1 P11309 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ADORA2A P29274 7/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SQOR Q9Y6N5 1/20 0.48
▸ BLM P54132 1/20 0.46
▸ ADORA2B P29275 1/20 0.45
▸ HPGD P15428 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ GAA P10253 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11937160 0.90 ADORA1 (0.46) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL11937158 0.87 ADORA1 (0.64) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL3052342 0.85 ADORA1 (0.60) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL11940989 0.83 ADORA1 (0.54) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL14290492 0.82 KMT2A (0.48) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL3043455 0.81 KMT2A (0.51) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL11937161 0.81 KMT2A (0.51) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL14290445 0.81 ADORA2A (0.53) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL13098519 0.80 ADORA1 (0.56) ADORA1MEN1KMT2APIM1L3MBTL1
SCHEMBL14285021 0.80 ADORA1 (0.44) ADORA1MEN1KMT2APIM1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 — — WO disclosed
Send feedback